![I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid structure](/static/products/947/94709-26-9.png)
I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid
TL;DR: I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid (CAS 94709-26-9) is a chemical compound with molecular formula C16H16O4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid
Also Known As: 3-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid, beta-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid, 3-[(4-methylphenyl)sulfonyl]-3-phenylpropanoic acid, I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid, 3-(4-Methylbenzene-1-sulfonyl)-3-phenylpropanoic acid
| Molecular Formula | C16H16O4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.07693 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 94709-26-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=CC=C2 |
| InChIKey | DZDFIJWINSXUET-UHFFFAOYSA-N |
Product Overview
I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid (CAS 94709-26-9), with molecular formula C16H16O4S and molecular weight 304.08 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid.
Chemical Property Profile of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid
Property Insights of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid. Following Lipinski's Rule of Five, I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid?
The CAS number of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid is 94709-26-9.
What is the molecular formula of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid?
The molecular formula of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid is C16H16O4S.
What is the molecular weight of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid?
The molecular weight of I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid is 304.08 g/mol.
Where can I buy I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid?
You can request a quote for I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for I(2)-[(4-Methylphenyl)sulfonyl]benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.